Geometry & MOs

Info

ID:	152678
PubChem CID:	56311707
Reduced:	N2O5C24H26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-155.82
Dipole, Da:	5.26
IP(EA), eV:	-8.61(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC(=O)OC3=C2C=CC(=C3C)O)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations