Geometry & MOs

Info

ID:	74361
PubChem CID:	48421771
Reduced:	ClN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-107.47
Dipole, Da:	1.08
IP(EA), eV:	-9.36(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(cycloheptylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations