Geometry & MOs

Info

ID:	58430
PubChem CID:	24701266
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	260.119464
ΔH_f, kcal/mol:	11.77
Dipole, Da:	3.16
IP(EA), eV:	-8.78(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC2=CC=C(C=C2)C(=N)N)C

DOS

IR

Vibrations