Geometry & MOs

Info

ID:	196914
PubChem CID:	78895345
Reduced:	ClO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	394.156039
ΔH_f, kcal/mol:	12.79
Dipole, Da:	1.95
IP(EA), eV:	-9.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloropyridin-3-yl)methyl]-N-methyl-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CN=C(C=C1)Cl)C(=O)C2=CN=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations