Geometry & MOs

Info

ID:	430798
PubChem CID:	135170865
Reduced:	OF2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	347.19574
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	6.6
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminocyclohexyl)-N-ethyl-2-[2-(methylideneamino)-4-nitroanilino]acetamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)F)C(=O)C3=CC4=C(N3)C=CC(=C4)F

DOS

IR

Vibrations