Geometry & MOs

Info

ID:	126872
PubChem CID:	50982872
Reduced:	ON7C12H19 (1)
Stoich.:	AB7C12D19 (1)
Weight, g/mol:	364.176007
ΔH_f, kcal/mol:	26.35
Dipole, Da:	5.65
IP(EA), eV:	-8.59(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1NCCC2=NC(=O)NN2)N(C)C)C

DOS

IR

Vibrations