Geometry & MOs

Info

ID:	58411
PubChem CID:	24698261
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	19.21
Dipole, Da:	2.58
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-propan-2-ylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)COC2=CC=C(C=C2)/C(=N/O)/N

DOS

IR

Vibrations