Geometry & MOs

Info

ID:	289080
PubChem CID:	104334620
Reduced:	ClSN3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	16.42
Dipole, Da:	4.43
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpiperidin-4-yl)methylamino]-5-nitropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCNCC1)CNC2=NC(=CS2)Cl

DOS

IR

Vibrations