Geometry & MOs

Info

ID:	441913
PubChem CID:	135246637
Reduced:	NC14H14 (2)
Stoich.:	AB14C14 (2)
Weight, g/mol:	397.15143
ΔH_f, kcal/mol:	80.48
Dipole, Da:	4.19
IP(EA), eV:	-9.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7-[(2Z,6Z)-8-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-4,5-dihydroazocin-7-yl]pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=C(N=CC=C2)CC3=CN=C(C=C3)CCCC4=CC=CC=C4

DOS

IR

Vibrations