Geometry & MOs

Info

ID:	25331
PubChem CID:	623164
Reduced:	OC27H42 (1)
Stoich.:	AB27C42 (1)
Weight, g/mol:	319.077933
ΔH_f, kcal/mol:	-88.91
Dipole, Da:	3.16
IP(EA), eV:	-9.16(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-naphthalen-2-ylsulfinylquinazolin-4-amine

Drug info:

PubChemData

Smile

CC(=CCCC(=C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C

DOS

IR

Vibrations