Geometry & MOs

Info

ID:	363139
PubChem CID:	127310172
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-4.88
Dipole, Da:	8.74
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations