Geometry & MOs

Info

ID:	68138
PubChem CID:	46507822
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	268.10342
ΔH_f, kcal/mol:	12.59
Dipole, Da:	4.8
IP(EA), eV:	-8.59(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylphenyl)methyl]-3,4-dihydroquinazoline-2-thione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=C)N2C3=CC=CC=C3NC2=O)C

DOS

IR

Vibrations