Geometry & MOs

Info

ID:	423789
PubChem CID:	135120222
Reduced:	NF2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-242.24
Dipole, Da:	1.5
IP(EA), eV:	-8.93(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-aminocyclohexyl)triazol-4-yl]-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)CC3=CC(=CC=C3)OC(F)F)O

DOS

IR

Vibrations