Geometry & MOs

Info

ID:	140580
PubChem CID:	52722682
Reduced:	N2O5C26H30 (1)
Stoich.:	A2B5C26D30 (1)
Weight, g/mol:	436.236208
ΔH_f, kcal/mol:	-173.05
Dipole, Da:	5.57
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)[C@@H]2CCCN(C2)C(=O)CCOC3=CC=CC=C3

DOS

IR

Vibrations