Geometry & MOs

Info

ID:	221276
PubChem CID:	85267083
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	-101.84
Dipole, Da:	2.15
IP(EA), eV:	-8.72(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[benzoyl(hexa-2,4-dienyl)amino]-2,5-dimethylhex-2-enoate

Drug info:

PubChemData

Smile

CC(=NO)C1=CC=C2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

DOS

IR

Vibrations