Geometry & MOs

Info

ID:	412949
PubChem CID:	135085886
Reduced:	BrNC13H14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	242.082205
ΔH_f, kcal/mol:	34.97
Dipole, Da:	2.63
IP(EA), eV:	-8.09(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-tert-butyl-N-(2-chloropyridin-3-yl)carbamate

Drug info:

PubChemData

Smile

C1CC(C(=C1)Br)N2CCC3=CC=CC=C32

DOS

IR

Vibrations