Geometry & MOs

Info

ID:	374077
PubChem CID:	131323457
Reduced:	N2O2H6C7 (1)
Stoich.:	A2B2C6D7 (1)
Weight, g/mol:	150.054161
ΔH_f, kcal/mol:	16.92
Dipole, Da:	2.84
IP(EA), eV:	-10.46(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(aminomethyl)-4-oxo-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(ON=C1C=O)CC#N

DOS

IR

Vibrations