Geometry & MOs

Info

ID:	41826
PubChem CID:	8147195
Reduced:	S2N3O3H19C20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-54.23
Dipole, Da:	1.94
IP(EA), eV:	-9.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)NC(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

DOS

IR

Vibrations