Geometry & MOs

Info

ID:	299028
PubChem CID:	117668055
Reduced:	F3N4C11H15 (1)
Stoich.:	A3B4C11D15 (1)
Weight, g/mol:	396.195011
ΔH_f, kcal/mol:	-125.95
Dipole, Da:	4.67
IP(EA), eV:	-9.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-phenylmethoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)N2CCNC(C2)C(F)(F)F

DOS

IR

Vibrations