Geometry & MOs

Info

ID:	438039
PubChem CID:	135227552
Reduced:	NC14H25 (1)
Stoich.:	AB14C25 (1)
Weight, g/mol:	181.089149
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	1.07
IP(EA), eV:	-8.74(2.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-phenylcyclohexa-1,5-dien-3-yn-1-amine

Drug info:

PubChemData

Smile

CCCC1CC2CCC2C1NC3CCC3

DOS

IR

Vibrations