Geometry & MOs

Info

ID:	180062
PubChem CID:	76570629
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	382.198046
ΔH_f, kcal/mol:	-60.32
Dipole, Da:	2.87
IP(EA), eV:	-8.75(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-5-phenyl-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(N=C2N1NCC2C(=O)N3CCCC3C(C)(C)OC)C4=CC=CC=C4)C

DOS

IR

Vibrations