Geometry & MOs

Info

ID:	199951
PubChem CID:	79322210
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	189.15175
ΔH_f, kcal/mol:	-15.38
Dipole, Da:	2.99
IP(EA), eV:	-8.7(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dimethylphenyl)methylidene]butan-1-amine

Drug info:

PubChemData

Smile

CCC(=CC1=CC(=CC=C1)OC)CN

DOS

IR

Vibrations