Geometry & MOs

Info

ID:	438149
PubChem CID:	135227777
Reduced:	N5H23C25 (1)
Stoich.:	A5B23C25 (1)
Weight, g/mol:	435.11575
ΔH_f, kcal/mol:	146.03
Dipole, Da:	5.73
IP(EA), eV:	-9.0(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z,6E)-2-bromo-5-nitro-N-[oxan-4-yl(pyridin-2-yl)methyl]nona-2,4,6-trien-4-amine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C=C2)N=CN3C(CC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations