Geometry & MOs

Info

ID:	244941
PubChem CID:	99431638
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	436.283826
ΔH_f, kcal/mol:	-127.49
Dipole, Da:	2.15
IP(EA), eV:	-8.57(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-[4-[methyl(2-methylpropyl)amino]benzoyl]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)[C@H](C)N3CCOCC3

DOS

IR

Vibrations