Geometry & MOs

Info

ID:	381767
PubChem CID:	134972595
Reduced:	NSO3H21C26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	65.04
Dipole, Da:	2.79
IP(EA), eV:	-9.14(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-4-[4-(dimethylamino)phenyl]-2-methylbut-3-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CC2=CC=CC=C2)CC(=O)C#CC3=CC=CC=C3

DOS

IR

Vibrations