Geometry & MOs

Info

ID:	42937
PubChem CID:	10317256
Reduced:	Cl2O2N3H13C18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	373.07897
ΔH_f, kcal/mol:	0.83
Dipole, Da:	3.75
IP(EA), eV:	-9.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromoanilino)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCC#N)O)Cl

DOS

IR

Vibrations