Geometry & MOs

Info

ID:	347947
PubChem CID:	127273009
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-71.22
Dipole, Da:	8.54
IP(EA), eV:	-8.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)NCC(C)N2CCN(CC2)C)C)C#N

DOS

IR

Vibrations