Geometry & MOs

Info

ID:	221866
PubChem CID:	85291470
Reduced:	SN4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	272.225249
ΔH_f, kcal/mol:	84.58
Dipole, Da:	6.72
IP(EA), eV:	-8.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-3-propan-2-yl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinazoline

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C2=CC=CC=C21)C=NNC(=S)N

DOS

IR

Vibrations