Geometry & MOs

Info

ID:	245163
PubChem CID:	99437717
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	7.55
IP(EA), eV:	-8.58(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[3-(2-methylanilino)propanoylamino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NCCC(=O)NC2=CC=C(C=C2)CN3CCC[C@@H](C3)C(=O)N

DOS

IR

Vibrations