Geometry & MOs

Info

ID:	195674
PubChem CID:	78721340
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	330.206919
ΔH_f, kcal/mol:	-82.22
Dipole, Da:	3.48
IP(EA), eV:	-8.62(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[[3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations