Geometry & MOs

Info

ID:	243022
PubChem CID:	99215114
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	355.262363
ΔH_f, kcal/mol:	-52.43
Dipole, Da:	4.53
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-2,2-dimethyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCCC(=O)NC2=CC(=CC=C2)OCCN3C=CC=N3

DOS

IR

Vibrations