Geometry & MOs

Info

ID:	164021
PubChem CID:	74381490
Reduced:	O5N7C42H49 (1)
Stoich.:	A5B7C42D49 (1)
Weight, g/mol:	305.165876
ΔH_f, kcal/mol:	-154.83
Dipole, Da:	3.0
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-but-2-en-2-yl-N-(3-chlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(C)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)N

DOS

IR

Vibrations