Geometry & MOs

Info

ID:	373499
PubChem CID:	131316178
Reduced:	ClSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	162.090546
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	6.02
IP(EA), eV:	-9.06(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminoethyl)-4-methylpyrimidine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(S2)C(=O)O)CCl

DOS

IR

Vibrations