Geometry & MOs

Info

ID:	443194
PubChem CID:	135258074
Reduced:	N2O3C11H17 (2)
Stoich.:	A2B3C11D17 (2)
Weight, g/mol:	390.124739
ΔH_f, kcal/mol:	-224.58
Dipole, Da:	1.71
IP(EA), eV:	-9.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(3-methylphenyl)-1-(oxolan-3-yl)-5-phenylpyrazolo[3,4-c]pyridazine

Drug info:

PubChemData

Smile

CN(C(=O)/C=C\C=O)CCC(=O)NCCCCCCNC(=O)CCN(C(=O)/C=C\C=O)C

DOS

IR

Vibrations