Geometry & MOs

Info

ID:	34385
PubChem CID:	7891042
Reduced:	N3O7C18H19 (1)
Stoich.:	A3B7C18D19 (1)
Weight, g/mol:	385.106256
ΔH_f, kcal/mol:	-194.38
Dipole, Da:	6.61
IP(EA), eV:	-9.2(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C)C

DOS

IR

Vibrations