Geometry & MOs

Info

ID:	158803
PubChem CID:	56479315
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	457.236542
ΔH_f, kcal/mol:	-59.68
Dipole, Da:	1.63
IP(EA), eV:	-8.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[1-(3-phenylmethoxybenzoyl)piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2CCCN(C2)C(=O)C3=C(SC(=N3)C4=CC=CO4)C

DOS

IR

Vibrations