Geometry & MOs

Info

ID:

167185

PubChem CID:

74793078

Reduced:

N2O3C23H27 (1)

Stoich.:

A2B3C23D27 (1)

Weight, g/mol:

347.187186

ΔHf, kcal/mol:

-29.91

Dipole, Da:

3.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.035548

Charge, e:

 1

Chem-info

IUPAC name:

(3-methoxyphenyl)methyl-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)azanium

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)CC[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4

DOS

IR

Vibrations