Geometry & MOs

Info

ID:	198653
PubChem CID:	79130677
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	296.109568
ΔH_f, kcal/mol:	-26.39
Dipole, Da:	3.02
IP(EA), eV:	-9.35(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-3-methylphenyl)sulfanylmethyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)(C2(CCCCC2)C#N)O

DOS

IR

Vibrations