Geometry & MOs

Info

ID:	342273
PubChem CID:	127265050
Reduced:	SN2O3C17H32 (1)
Stoich.:	AB2C3D17E32 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-164.76
Dipole, Da:	3.45
IP(EA), eV:	-9.08(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(2,3-dimethoxyphenyl)methyl]-3,4,4-trimethylpent-2-enamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)NCC1CCCN(C1)C(=O)C=C(C)C(C)(C)C

DOS

IR

Vibrations