Geometry & MOs

Info

ID:	345994
PubChem CID:	127270311
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	4.38
IP(EA), eV:	-9.2(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5,7-dihydrobenzo[d][2]benzazepine-6-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)N3CC4=CC=CC=C4C5=CC=CC=C5C3

DOS

IR

Vibrations