Geometry & MOs

Info

ID:	373264
PubChem CID:	131312430
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	6.48
Dipole, Da:	3.16
IP(EA), eV:	-8.59(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyphenyl)pyrrolidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(CC2=C(N1)C=C(C=C2)OC)C#N

DOS

IR

Vibrations