Geometry & MOs

Info

ID:	139169
PubChem CID:	52485046
Reduced:	O3N5H23C24 (1)
Stoich.:	A3B5C23D24 (1)
Weight, g/mol:	402.145868
ΔH_f, kcal/mol:	14.98
Dipole, Da:	2.0
IP(EA), eV:	-8.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCC(=O)NNC(=O)C2=CN(N=C2C3=CC=C(O3)C)C4=CC=CC=C4

DOS

IR

Vibrations