Geometry & MOs

Info

ID:	71100
PubChem CID:	48414287
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	6.16
Dipole, Da:	2.44
IP(EA), eV:	-9.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)COC2=CC=CC(=C2)C#N

DOS

IR

Vibrations