Geometry & MOs

Info

ID:	194978
PubChem CID:	78616425
Reduced:	NO2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-200.94
Dipole, Da:	3.72
IP(EA), eV:	-9.14(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=C(C(=C(N2)C)C(C)O)C

DOS

IR

Vibrations