Geometry & MOs

Info

ID:	358565
PubChem CID:	127296197
Reduced:	FN2O2C23H31 (1)
Stoich.:	AB2C2D23E31 (1)
Weight, g/mol:	330.18559
ΔH_f, kcal/mol:	-147.76
Dipole, Da:	2.33
IP(EA), eV:	-9.66(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=C(C=C2)F)NCC(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations