Geometry & MOs

Info

ID:	407106
PubChem CID:	135079344
Reduced:	NH17C21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	379.193614
ΔH_f, kcal/mol:	104.15
Dipole, Da:	1.32
IP(EA), eV:	-8.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(cyclohexen-1-yl)-3-(2-methylnaphthalen-1-yl)prop-2-ynamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCC2=C(C=CC(=C2)C3=CC=CC=C3)N

DOS

IR

Vibrations