Geometry & MOs

Info

ID:

297888

PubChem CID:

117636388

Reduced:

O4N7C37H43 (1)

Stoich.:

A4B7C37D43 (1)

Weight, g/mol:

436.211055

ΔHf, kcal/mol:

-20.12

Dipole, Da:

4.37

IP(EA), eV:

 -8.25(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(methylamino)-4-(1-nitrosoethyl)phenyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1C(=C(ON1C)C)C2=C(C=C3C(=C2)NC4=NC(=NC(=C34)C5=CC(=CC(=C5)C(C)(C)C#N)C(=O)NC6CCN(CC6)C7COC7)C)OC

DOS

IR

Vibrations