Geometry & MOs

Info

ID:	220431
PubChem CID:	85189551
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	-125.02
Dipole, Da:	5.89
IP(EA), eV:	-9.21(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[benzyl(hexa-2,4-dienoyl)amino]-2,5-dimethylhex-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(C(C=CC2C1C(N(C2=O)CC3=CC=CC=C3)C(C)C)C)C

DOS

IR

Vibrations