Geometry & MOs

Info

ID:	243949
PubChem CID:	99302964
Reduced:	N3O5C27H35 (1)
Stoich.:	A3B5C27D35 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-204.04
Dipole, Da:	6.2
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[(2-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations