Geometry & MOs

Info

ID:	244943
PubChem CID:	99431642
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-101.57
Dipole, Da:	5.46
IP(EA), eV:	-8.5(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-1-(5-methoxy-2-nitrobenzoyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@@H]2CCCN(C2)C(=O)C3=C(C=CC(=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations