Geometry & MOs

Info

ID:	323550
PubChem CID:	126675399
Reduced:	BrN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	322.215747
ΔH_f, kcal/mol:	-55.0
Dipole, Da:	5.0
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-aminoethenyl)-5-[3-[(cyclohexylamino)methyl]phenyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)COC3CCC[C@@H]3NC(=O)C4=C(N=CC(=C4)Br)N

DOS

IR

Vibrations