Geometry & MOs

Info

ID:	195530
PubChem CID:	78695688
Reduced:	NO6C24H27 (1)
Stoich.:	AB6C24D27 (1)
Weight, g/mol:	362.147786
ΔH_f, kcal/mol:	-183.28
Dipole, Da:	7.29
IP(EA), eV:	-9.02(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COCCN(CC1=CC=CC=C1)C(=O)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations