Geometry & MOs

Info

ID:	39156
PubChem CID:	8139810
Reduced:	N2O3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-63.18
Dipole, Da:	12.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.116730
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations