Geometry & MOs

Info

ID:	22109
PubChem CID:	596014
Reduced:	SN4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	306.093918
ΔH_f, kcal/mol:	96.14
Dipole, Da:	2.89
IP(EA), eV:	-8.91(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methylquinazoline

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=N1)SCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations