Geometry & MOs

Info

ID:	180060
PubChem CID:	76570627
Reduced:	O2F3N5C21H26 (1)
Stoich.:	A2B3C5D21E26 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	-201.62
Dipole, Da:	1.23
IP(EA), eV:	-9.39(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-7,7-dimethyl-5-pyridin-2-yl-2,3,5,6-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCNC(=O)C2CNN3C2=NC(CC3C(F)(F)F)C4=CC=CC=C4

DOS

IR

Vibrations