Geometry & MOs

Info

ID:	153188
PubChem CID:	56312340
Reduced:	N2O2C12H19 (2)
Stoich.:	A2B2C12D19 (2)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-166.2
Dipole, Da:	7.65
IP(EA), eV:	-8.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2CN(CCO2)CC(C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations