Geometry & MOs

Info

ID:	37010
PubChem CID:	8016110
Reduced:	N2O4C19H21 (1)
Stoich.:	A2B4C19D21 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	6.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.048484
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4,8-dimethyl-7-(3-methylbut-2-enoxy)-2-oxochromen-3-yl]acetamide

Drug info:

PubChemData

Smile

C[NH+]1CCC2=CC3=C(C(=C2[C@H]1CC(=O)C4=CN=CC=C4)OC)OCO3

DOS

IR

Vibrations