Geometry & MOs

Info

ID:	148975
PubChem CID:	53788646
Reduced:	NCl2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	391.110584
ΔH_f, kcal/mol:	-94.63
Dipole, Da:	4.88
IP(EA), eV:	-9.29(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2R)-1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-inden-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2=CC=CC=C2C1CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations