Geometry & MOs

Info

ID:	145572
PubChem CID:	53546376
Reduced:	N2O2H8C9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	9.06
IP(EA), eV:	-9.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-ethyl-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)NC(=O)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations