Geometry & MOs

Info

ID:	142884
PubChem CID:	53108488
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	495.248169
ΔH_f, kcal/mol:	-71.15
Dipole, Da:	4.92
IP(EA), eV:	-8.39(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1=C(N=CC(=C1)NC(=O)C2=CC=CC=C2OC)N3CCNCC3

DOS

IR

Vibrations