Geometry & MOs

Info

ID:	365178
PubChem CID:	127316995
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-23.23
Dipole, Da:	5.09
IP(EA), eV:	-8.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3CCN(CC3)CC4=NC=CN4C)C

DOS

IR

Vibrations