Geometry & MOs

Info

ID:	152282
PubChem CID:	56311179
Reduced:	N2O2C13H17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	452.20597
ΔH_f, kcal/mol:	-125.5
Dipole, Da:	4.61
IP(EA), eV:	-8.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations