Geometry & MOs

Info

ID:	426415
PubChem CID:	135143943
Reduced:	NOSH47C52 (1)
Stoich.:	ABCD47E52 (1)
Weight, g/mol:	204.07212
ΔH_f, kcal/mol:	92.29
Dipole, Da:	3.41
IP(EA), eV:	-7.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylsulfanylethyl)quinazoline

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=C4C5=C(C=C(C=C5)C(C)(C)C)OC4=CC=C3)C6=C1C=C(C=C6)N(C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C(C)(C)S)C

DOS

IR

Vibrations