Geometry & MOs

Info

ID:

25398

PubChem CID:

624118

Reduced:

O2N4H15C17 (1)

Stoich.:

A2B4C15D17 (1)

Weight, g/mol:

320.023166

ΔHf, kcal/mol:

45.86

Dipole, Da:

8.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.803622

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-7,8-dichlorobenzo[f]quinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)N[N+]#N

DOS

IR

Vibrations