Geometry & MOs

Info

ID:	370395
PubChem CID:	127338441
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-116.87
Dipole, Da:	9.21
IP(EA), eV:	-8.73(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NC(=O)C(=C2)C(=O)NC3CC(=O)N(C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations