Geometry & MOs

Info

ID:	312710
PubChem CID:	126607546
Reduced:	FN7H26C27 (1)
Stoich.:	AB7C26D27 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	146.0
Dipole, Da:	3.49
IP(EA), eV:	-8.45(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-but-3-enoxyphenyl)methyl]-4-N-methyl-3-nitro-6-prop-2-enoxypyridine-2,4-diamine

Drug info:

PubChemData

Smile

C/C(=C(/C)\N=C(C)C1=CC=CC=N1)/C=C/N2C(=N)C=CC(=N2)C3=CN(N=C3C4=CC=C(C=C4)F)C

DOS

IR

Vibrations