Geometry & MOs

Info

ID:	32774
PubChem CID:	7848239
Reduced:	N2O5C15H20 (1)
Stoich.:	A2B5C15D20 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-146.94
Dipole, Da:	1.43
IP(EA), eV:	-9.65(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-methylpentanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC(C)C

DOS

IR

Vibrations