Geometry & MOs

Info

ID:	168391
PubChem CID:	74961072
Reduced:	O3C25H26 (1)
Stoich.:	A3B25C26 (1)
Weight, g/mol:	347.173273
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	3.21
IP(EA), eV:	-9.02(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[C-(4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl]but-2-enoate

Drug info:

PubChemData

Smile

CC1(CCCC2(C1CCC3=C(OC=C32)C4=CC(=O)C5=CC=CC=C5C4=O)C)C

DOS

IR

Vibrations