Geometry & MOs

Info

ID:	190613
PubChem CID:	78032046
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	48.93
Dipole, Da:	1.76
IP(EA), eV:	-8.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(C(=N2)NC4CC(NN4)C5CC5)NN=C3)OC

DOS

IR

Vibrations