Geometry & MOs

Info

ID:	75969
PubChem CID:	48424234
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	403.247107
ΔH_f, kcal/mol:	-137.21
Dipole, Da:	2.93
IP(EA), eV:	-8.89(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N2CCCC2=O)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations