Geometry & MOs

Info

ID:	290870
PubChem CID:	111370319
Reduced:	ON6C22H44 (1)
Stoich.:	AB6C22D44 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-74.2
Dipole, Da:	5.52
IP(EA), eV:	-8.36(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanol

Drug info:

PubChemData

Smile

CCNC(=NCCCN1CCCCC1C)NCCCCN2CCC(CC2)C(=O)N

DOS

IR

Vibrations