Geometry & MOs

Info

ID:	186709
PubChem CID:	77471927
Reduced:	O2N5C28H29 (1)
Stoich.:	A2B5C28D29 (1)
Weight, g/mol:	469.247775
ΔH_f, kcal/mol:	58.97
Dipole, Da:	5.86
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-(4-methoxycyclohexa-1,3-dien-1-yl)-6-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(NC3=C2C=CC(=C3)C4CNNC4)C(=O)N(CC5=CN=CC=C5)C6CC6

DOS

IR

Vibrations