Geometry & MOs

Info

ID:	166738
PubChem CID:	74727464
Reduced:	N4O4C25H31 (1)
Stoich.:	A4B4C25D31 (1)
Weight, g/mol:	277.191603
ΔH_f, kcal/mol:	-83.45
Dipole, Da:	4.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996887
Charge, e:	1

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-(2-methylbutan-2-yl)azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1C(N=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4OC

DOS

IR

Vibrations