Geometry & MOs

Info

ID:	187758
PubChem CID:	77619610
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-130.27
Dipole, Da:	9.03
IP(EA), eV:	-9.12(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-[2-(dimethylamino)ethoxy]-6-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrazol-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1C2C(C(=C(N2C1=O)C(=O)O)C3=CC=C(C=C3)C#N)CCN4CCOCC4)O

DOS

IR

Vibrations