Geometry & MOs

Info

ID:	350262
PubChem CID:	127277340
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	8.37
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCOCC1)C(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations