Geometry & MOs

Info

ID:	369504
PubChem CID:	127334246
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-163.83
Dipole, Da:	1.58
IP(EA), eV:	-8.74(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[(6-methylpyridazin-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N(C)CC1COC2=CC=CC=C2O1)NC(=O)N3CCCC3

DOS

IR

Vibrations