Geometry & MOs

Info

ID:	419452
PubChem CID:	135108198
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	4.78
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-[(4-oxo-1H-quinazolin-2-yl)methylamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NOC(=C2C(=O)N3C[C@H]4CC=CC[C@H]4C3)C5=CC=CC=C5

DOS

IR

Vibrations