Geometry & MOs

Info

ID:	193538
PubChem CID:	78404610
Reduced:	ON5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	454.219175
ΔH_f, kcal/mol:	124.16
Dipole, Da:	4.62
IP(EA), eV:	-8.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NNN2

DOS

IR

Vibrations