Geometry & MOs

Info

ID:	149826
PubChem CID:	53789504
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	403.199488
ΔH_f, kcal/mol:	-95.16
Dipole, Da:	8.6
IP(EA), eV:	-8.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[ethoxycarbonyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-yl] ethyl carbonate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCCOC2CN3C(=C2)C=NC4=C3NC=CC4=O

DOS

IR

Vibrations