Geometry & MOs

Info

ID:	190309
PubChem CID:	77982925
Reduced:	NOC7H9 (4)
Stoich.:	ABC7D9 (4)
Weight, g/mol:	397.252941
ΔH_f, kcal/mol:	-115.88
Dipole, Da:	2.18
IP(EA), eV:	-9.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-4-methyl-6-(2-methylpropyl)-7-propan-2-yloxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1(CCC(=CC1)C2=C(C=CC(C2)C3CC4(CCC(C3)(O4)CO)CO)NC(=O)C5=NC=C(N5)C#N)C

DOS

IR

Vibrations