Geometry & MOs

Info

ID:	257273
PubChem CID:	103144819
Reduced:	N2O5C14H16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-125.49
Dipole, Da:	4.43
IP(EA), eV:	-9.74(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-ethylthiophen-2-yl)ethyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)/C(=C(\C)/C(=O)O)/C

DOS

IR

Vibrations