Geometry & MOs

Info

ID:	75899
PubChem CID:	48424130
Reduced:	ClO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	5.11
IP(EA), eV:	-8.85(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-1-[[3-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=NC(=CC=C2)Cl)OCC3CC3

DOS

IR

Vibrations