Geometry & MOs

Info

ID:	59136
PubChem CID:	24771162
Reduced:	ON2C22H34 (1)
Stoich.:	AB2C22D34 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	1.46
IP(EA), eV:	-8.27(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-cyanophenyl)methyl]-N-(3-methoxypropyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(N1CCCC1)OC2=CC3=C(CCCCC3N4CCCC4)C=C2

DOS

IR

Vibrations