Geometry & MOs

Info

ID:	160619
PubChem CID:	57389235
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-46.85
Dipole, Da:	4.92
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]-7,8-dihydro-6H-quinazolin-5-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=NC=C3C(=N2)CC(CC3=O)C

DOS

IR

Vibrations