Geometry & MOs

Info

ID:	261458
PubChem CID:	103234890
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-69.92
Dipole, Da:	7.18
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2,5-dimethylanilino)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N/C=C/C(=O)O

DOS

IR

Vibrations