Geometry & MOs

Info

ID:	188132
PubChem CID:	77670946
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	6.28
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] but-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)OC(=O)C=CC2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations