Geometry & MOs

Info

ID:	38319
PubChem CID:	8030404
Reduced:	ClN2C19H33 (1)
Stoich.:	AB2C19D33 (1)
Weight, g/mol:	384.062533
ΔH_f, kcal/mol:	-23.32
Dipole, Da:	2.69
IP(EA), eV:	-8.55(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC[C@H](CCNCCCN(C)C)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations