Geometry & MOs

Info

ID:	184640
PubChem CID:	77186823
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	476.278741
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	6.72
IP(EA), eV:	-8.46(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[(3-methylphenyl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1,2,3,3a,4,5,7,7a-octahydroindazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C)C(=O)C2CC3C(CC2=O)NNC3CC4=CC=CC(=C4)C

DOS

IR

Vibrations