Geometry & MOs

Info

ID:	172146
PubChem CID:	75471702
Reduced:	O2S2N3C15H21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	-33.22
Dipole, Da:	5.71
IP(EA), eV:	-9.31(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCNC(C)C2=CC(=CC=C2)S(=O)(=O)NC

DOS

IR

Vibrations