Geometry & MOs

Info

ID:	178903
PubChem CID:	76399734
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	17.82
Dipole, Da:	6.14
IP(EA), eV:	-9.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenoxy)-1-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(C)NC(=O)C2=CN(N=C2)C3=CC=CC=C3OC

DOS

IR

Vibrations