Geometry & MOs

Info

ID:	67342
PubChem CID:	46506309
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-159.14
Dipole, Da:	7.29
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O

DOS

IR

Vibrations