Geometry & MOs

Info

ID:	137319
PubChem CID:	52189863
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	391.180387
ΔH_f, kcal/mol:	-30.24
Dipole, Da:	5.99
IP(EA), eV:	-9.3(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[(2-methyl-3-nitrophenyl)carbamoyl-(thiophen-2-ylmethyl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)N[C@H](C)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations