Geometry & MOs

Info

ID:	189906
PubChem CID:	77921559
Reduced:	SN5O8C38H57 (1)
Stoich.:	AB5C8D38E57 (1)
Weight, g/mol:	410.174276
ΔH_f, kcal/mol:	-358.66
Dipole, Da:	5.13
IP(EA), eV:	-9.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-3a,6-dihydro-1H-pyrazolo[4,3-c]pyridin-3-amine

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N(COC(=O)CC(C)C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)O)C(C)C)NC(=O)C3CCCCN3C

DOS

IR

Vibrations