Geometry & MOs

Info

ID:	320821
PubChem CID:	126663759
Reduced:	NC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	217.18305
ΔH_f, kcal/mol:	32.56
Dipole, Da:	2.78
IP(EA), eV:	-7.74(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-2,5-dimethyl-N-prop-1-en-2-ylaniline

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=C1)NC(=C)N3CCC2

DOS

IR

Vibrations