Geometry & MOs

Info

ID:	275570
PubChem CID:	103816626
Reduced:	BrN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	382.12559
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	1.33
IP(EA), eV:	-8.78(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-bromo-4,6-dimethylanilino)cyclopentyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC2CCN(CC2)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations