Geometry & MOs

Info

ID:	71309
PubChem CID:	48414602
Reduced:	N4O5C18H20 (1)
Stoich.:	A4B5C18D20 (1)
Weight, g/mol:	380.151826
ΔH_f, kcal/mol:	-40.07
Dipole, Da:	1.64
IP(EA), eV:	-9.12(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations