Geometry & MOs

Info

ID:	261655
PubChem CID:	103244043
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-107.01
Dipole, Da:	3.34
IP(EA), eV:	-9.19(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-ethyl-4-(3-methylpentan-2-ylamino)but-2-enoate

Drug info:

PubChemData

Smile

CCC(C)C(C)NC/C=C(/C)\C(=O)O

DOS

IR

Vibrations