Geometry & MOs

Info

ID:	62896
PubChem CID:	26737527
Reduced:	N5O6C23H29 (1)
Stoich.:	A5B6C23D29 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-97.39
Dipole, Da:	7.75
IP(EA), eV:	-8.1(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-1H-indole-3-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C(=O)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations