Geometry & MOs

Info

ID:	180051
PubChem CID:	76570459
Reduced:	ON4C28H32 (1)
Stoich.:	AB4C28D32 (1)
Weight, g/mol:	438.260646
ΔH_f, kcal/mol:	26.68
Dipole, Da:	3.11
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(N=C2N1NCC2C(=O)NC(C)(C)CC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

DOS

IR

Vibrations