Geometry & MOs

Info

ID:	375032
PubChem CID:	131465267
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	188.131349
ΔH_f, kcal/mol:	-39.33
Dipole, Da:	5.07
IP(EA), eV:	-8.5(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(methylamino)benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC1=C(C(=CC=C1)Br)N(C)C

DOS

IR

Vibrations