Geometry & MOs

Info

ID:	22947
PubChem CID:	600090
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-25.14
Dipole, Da:	5.97
IP(EA), eV:	-8.52(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-pyrrol-5-yl)-2-[5-(2-hydroxypropan-2-yl)pyrrolidin-2-ylidene]acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C1CCC(=C(C#N)C2=NCCC2)N1)O

DOS

IR

Vibrations