Geometry & MOs

Info

ID:	275568
PubChem CID:	103816624
Reduced:	BrN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	368.10994
ΔH_f, kcal/mol:	-118.17
Dipole, Da:	3.74
IP(EA), eV:	-8.71(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations