Geometry & MOs

Info

ID:	164148
PubChem CID:	74382094
Reduced:	BrON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	415.237211
ΔH_f, kcal/mol:	13.55
Dipole, Da:	2.72
IP(EA), eV:	-8.66(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminopyridin-3-yl)-[6-[3-(2-methylpropyl)piperazin-1-yl]-3-phenylpyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CC1CN(CCN1)C2=CC=CC(=N2)C(=O)C3=C(N=CC(=C3)Br)N

DOS

IR

Vibrations