Geometry & MOs

Info

ID:	166982
PubChem CID:	74761170
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	449.195071
ΔH_f, kcal/mol:	-83.49
Dipole, Da:	1.28
IP(EA), eV:	-9.06(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2,5-dimethyl-3-[2-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyloxy]acetyl]pyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C=CC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations