Geometry & MOs

Info

ID:	418216
PubChem CID:	135103884
Reduced:	FO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	380.167083
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	3.19
IP(EA), eV:	-9.22(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)CN(CCO)CC2=NC=CN2

DOS

IR

Vibrations