Geometry & MOs

Info

ID:	344217
PubChem CID:	127267393
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-18.21
Dipole, Da:	5.7
IP(EA), eV:	-9.12(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methoxy-2-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCC2=C1N=CC=C2)C(=O)C=C

DOS

IR

Vibrations