Geometry & MOs

Info

ID:	268198
PubChem CID:	103598332
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	5.21
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CC(=O)N2CCC(CC2)C(=O)NCCCN3CCCC3

DOS

IR

Vibrations