Geometry & MOs

Info

ID:	182217
PubChem CID:	76861677
Reduced:	ClO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	442.258006
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	2.74
IP(EA), eV:	-9.48(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(C=N2)C(=O)NNC(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations