Geometry & MOs

Info

ID:	444299
PubChem CID:	135261979
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	312.087685
ΔH_f, kcal/mol:	-54.76
Dipole, Da:	2.62
IP(EA), eV:	-8.3(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)-4-oxochromen-7-yl]oxy-N,N-dimethylacetamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)N2CCN(CC2)CC3COC4=CC=CC=C4O3)N5CCCC5=O

DOS

IR

Vibrations