Geometry & MOs

Info

ID:	425975
PubChem CID:	135134054
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	151.1361
ΔH_f, kcal/mol:	18.81
Dipole, Da:	8.83
IP(EA), eV:	-8.16(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)N=C2C=CC(=O)C=C2N)C(C)C

DOS

IR

Vibrations