Geometry & MOs

Info

ID:	343161
PubChem CID:	127266334
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-61.82
Dipole, Da:	6.85
IP(EA), eV:	-8.84(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)N2CCCCC3=C2C=CC=C3OC

DOS

IR

Vibrations