Geometry & MOs

Info

ID:	407107
PubChem CID:	135079345
Reduced:	NOH25C27 (1)
Stoich.:	ABC25D27 (1)
Weight, g/mol:	399.219829
ΔH_f, kcal/mol:	70.27
Dipole, Da:	4.96
IP(EA), eV:	-8.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(cyclohexen-1-yl)-3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-ynamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)C#CC(=O)N(CC3=CC=CC=C3)C4=CCCCC4

DOS

IR

Vibrations