Geometry & MOs

Info

ID:	137698
PubChem CID:	52246554
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	318.148061
ΔH_f, kcal/mol:	-88.68
Dipole, Da:	8.22
IP(EA), eV:	-9.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C[C@H](C1=CC=CC=C1)NC(=O)NNC(=O)C2=CC=CC=C2O

DOS

IR

Vibrations