Geometry & MOs

Info

ID:	244942
PubChem CID:	99431640
Reduced:	ON2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-73.64
Dipole, Da:	4.4
IP(EA), eV:	-8.25(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-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=CC=C(C=C3)N(C)CC(C)C

DOS

IR

Vibrations