Geometry & MOs

Info

ID:	72506
PubChem CID:	48416248
Reduced:	N2O5C20H30 (1)
Stoich.:	A2B5C20D30 (1)
Weight, g/mol:	416.194737
ΔH_f, kcal/mol:	-233.1
Dipole, Da:	3.8
IP(EA), eV:	-8.72(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-[(4-ethoxyphenyl)methyl]-3-methoxy-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C(C(C)C)NC(=O)C)C(=O)OC

DOS

IR

Vibrations