Geometry & MOs

Info

ID:	71110
PubChem CID:	48414301
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	362.149124
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	4.11
IP(EA), eV:	-9.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2H-benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations