Geometry & MOs

Info

ID:	148648
PubChem CID:	53788316
Reduced:	N3O5C30H35 (1)
Stoich.:	A3B5C30D35 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-136.5
Dipole, Da:	5.48
IP(EA), eV:	-8.66(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-3-hydroxy-4-methyl-2-(1-methylpyrrolidin-2-yl)pent-4-enenitrile

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CC3=CC=C(C=C3)CCCOC(C4=CC(=C(C=C4)OC)OC)C(=O)O)N=C(C=C2C)C

DOS

IR

Vibrations