Geometry & MOs

Info

ID:	142739
PubChem CID:	53083527
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	385.222623
ΔH_f, kcal/mol:	15.99
Dipole, Da:	6.26
IP(EA), eV:	-8.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-pyrazol-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CC(CC2=O)C3=NC(=NO3)C4=CC=C(C=C4)N(C)C)C

DOS

IR

Vibrations