Geometry & MOs

Info

ID:	192585
PubChem CID:	78287457
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	312.132136
ΔH_f, kcal/mol:	-197.32
Dipole, Da:	4.77
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(C)O)C)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations