Geometry & MOs

Info

ID:	189538
PubChem CID:	77869204
Reduced:	PN4O13C17H27 (1)
Stoich.:	AB4C13D17E27 (1)
Weight, g/mol:	364.215078
ΔH_f, kcal/mol:	-617.52
Dipole, Da:	9.46
IP(EA), eV:	-9.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-2-methyl-3-(1-piperidin-4-ylprop-1-enyl)benzamide

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O)NCO

DOS

IR

Vibrations