Geometry & MOs

Info

ID:	75597
PubChem CID:	48423718
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-111.39
Dipole, Da:	4.25
IP(EA), eV:	-8.98(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC=CC=C2CNC(=O)C(C)OCC3CC3

DOS

IR

Vibrations