Geometry & MOs

Info

ID:	382442
PubChem CID:	134973591
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	402.215472
ΔH_f, kcal/mol:	-116.61
Dipole, Da:	0.82
IP(EA), eV:	-9.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,4-dimethyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-phenylmethoxypyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C=O)C)OCC2=CC=CC=C2

DOS

IR

Vibrations