Geometry & MOs

Info

ID:	174603
PubChem CID:	75792189
Reduced:	N2O3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	384.241293
ΔH_f, kcal/mol:	-130.89
Dipole, Da:	5.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136705
Charge, e:	0

Chem-info

IUPAC name:

8-[[bis(2-methylpropyl)amino]methyl]-3-piperidin-2-ylidenechromene-2,7-dione

Drug info:

PubChemData

Smile

CC(C)C[NH+](CC1=C2C(=CC(=C3CCCCN3)C(=O)O2)C=CC1=O)CC(C)C

DOS

IR

Vibrations