Geometry & MOs

Info

ID:	351248
PubChem CID:	127279806
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-57.38
Dipole, Da:	5.73
IP(EA), eV:	-8.39(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC=C2)C(=O)NC3=CC4=C(C=C3)NC(=O)CCC4

DOS

IR

Vibrations