Geometry & MOs

Info

ID:	33026
PubChem CID:	7850372
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-175.92
Dipole, Da:	5.31
IP(EA), eV:	-8.8(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2,5-dimethyl-3-[2-[(E)-3-(2-methylphenyl)prop-2-enoyl]oxyacetyl]pyrrol-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CN2C(=O)C3(CCCCC3)N(C2=O)C

DOS

IR

Vibrations