Geometry & MOs

Info

ID:	355734
PubChem CID:	127289807
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	388.237545
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	4.0
IP(EA), eV:	-9.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCC5=CN=CN=C5C4

DOS

IR

Vibrations