Geometry & MOs

Info

ID:	421360
PubChem CID:	135115862
Reduced:	ClN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	4.91
IP(EA), eV:	-8.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-oxoquinazolin-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)NC[C@@H]2CCCO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations