Geometry & MOs

Info

ID:	45927
PubChem CID:	10519286
Reduced:	ClO2N3H12C16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	313.086956
ΔH_f, kcal/mol:	25.09
Dipole, Da:	6.26
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)N

DOS

IR

Vibrations