Geometry & MOs

Info

ID:	316189
PubChem CID:	126630335
Reduced:	NC3H4 (6)
Stoich.:	AB3C4 (6)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	58.23
Dipole, Da:	2.9
IP(EA), eV:	-8.33(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-methyl-N-propyl-7-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC1=NC(=C2C(=N1)N(C=N2)CC3=CC=C(C=C3)CC)N

DOS

IR

Vibrations