Geometry & MOs

Info

ID:	419596
PubChem CID:	135108530
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	4.55
IP(EA), eV:	-9.3(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCCN(CC2)C(=O)C3=CC(=NC=C3)OC

DOS

IR

Vibrations