Geometry & MOs

Info

ID:	398141
PubChem CID:	135031974
Reduced:	NO3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	382.115631
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	3.01
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,3E)-1-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]-N-methoxy-3-methoxyimino-1-nitrobut-1-en-2-amine

Drug info:

PubChemData

Smile

CC1(CCC(=C1OC)C2=CC=CC=C2)C3=CNC4=C3C=C(C=C4)C(=O)OC

DOS

IR

Vibrations