Geometry & MOs

Info

ID:	140398
PubChem CID:	52691859
Reduced:	FNOC19H23 (1)
Stoich.:	ABCD19E23 (1)
Weight, g/mol:	461.288971
ΔH_f, kcal/mol:	-57.74
Dipole, Da:	5.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.110824
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-[(2R)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)O)C[NH+]2CCC[C@@H]2C3=CC(=CC=C3)F

DOS

IR

Vibrations