Geometry & MOs

Info

ID:	266828
PubChem CID:	103579700
Reduced:	BrN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	251.03096
ΔH_f, kcal/mol:	36.0
Dipole, Da:	2.85
IP(EA), eV:	-8.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-but-3-ynyl-3,5-dimethylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=CN=CN2C

DOS

IR

Vibrations