Geometry & MOs

Info

ID:	448439
PubChem CID:	135290968
Reduced:	IN2C5H7 (1)
Stoich.:	AB2C5D7 (1)
Weight, g/mol:	196.101878
ΔH_f, kcal/mol:	31.0
Dipole, Da:	4.49
IP(EA), eV:	-8.9(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-chloro-2,4-dimethylbenzene

Drug info:

PubChemData

Smile

CC1=CN=C(N1I)C

DOS

IR

Vibrations