Geometry & MOs

Info

ID:	431700
PubChem CID:	135171796
Reduced:	OSF3N5C20H28 (1)
Stoich.:	ABC3D5E20F28 (1)
Weight, g/mol:	364.236208
ΔH_f, kcal/mol:	-151.0
Dipole, Da:	7.24
IP(EA), eV:	-8.96(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)N)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations