Geometry & MOs

Info

ID:	375397
PubChem CID:	131500193
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	148.063663
ΔH_f, kcal/mol:	-47.19
Dipole, Da:	4.63
IP(EA), eV:	-8.87(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)O)CCC#N

DOS

IR

Vibrations