Geometry & MOs

Info

ID:	243198
PubChem CID:	99216843
Reduced:	O2N4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-70.95
Dipole, Da:	4.72
IP(EA), eV:	-9.23(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@H]3CCCC4=C3C=NN4C(C)(C)C

DOS

IR

Vibrations