Geometry & MOs

Info

ID:	253797
PubChem CID:	103120693
Reduced:	ON5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	53.38
Dipole, Da:	6.55
IP(EA), eV:	-8.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3=CN=C(C=C3)N

DOS

IR

Vibrations