Geometry & MOs

Info

ID:	245251
PubChem CID:	99438046
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	2.0
IP(EA), eV:	-8.83(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(cyclopropylamino)pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OCCOC

DOS

IR

Vibrations