Geometry & MOs

Info

ID:	448341
PubChem CID:	135290244
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	199.1361
ΔH_f, kcal/mol:	-2.47
Dipole, Da:	6.42
IP(EA), eV:	-8.85(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-phenylcyclohexa-2,4-dien-1-amine

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)/C=C/C=O

DOS

IR

Vibrations