Geometry & MOs

Info

ID:	445400
PubChem CID:	135266866
Reduced:	N2F4C9H10 (1)
Stoich.:	A2B4C9D10 (1)
Weight, g/mol:	401.24269
ΔH_f, kcal/mol:	-153.35
Dipole, Da:	3.39
IP(EA), eV:	-9.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-7-amino-8-[[3-(3-hydroxypropyl)-2-methyl-4-methylidene-5-(3-nitrosopropyl)cyclohexa-2,5-dien-1-ylidene]amino]-1,2,3,4,5,6-hexahydrodiazonin-9-one

Drug info:

PubChemData

Smile

CN=C1/C(=C(/C(F)F)\N)/C2CC2C1(F)F

DOS

IR

Vibrations