Geometry & MOs

Info

ID:	276228
PubChem CID:	103821401
Reduced:	BrN2O2C17H25 (1)
Stoich.:	AB2C2D17E25 (1)
Weight, g/mol:	368.10994
ΔH_f, kcal/mol:	-110.22
Dipole, Da:	1.59
IP(EA), eV:	-8.48(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-bromo-3-methylanilino)cyclopentyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2CCCN(C2)C(=O)OC(C)(C)C)Br

DOS

IR

Vibrations