Geometry & MOs

Info

ID:	358330
PubChem CID:	127295875
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	374.206639
ΔH_f, kcal/mol:	-104.57
Dipole, Da:	4.88
IP(EA), eV:	-9.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)C2=CN=CN2

DOS

IR

Vibrations