Geometry & MOs

Info

ID:	70268
PubChem CID:	48409868
Reduced:	ClO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	5.44
IP(EA), eV:	-8.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC(=C(C=C2)Cl)C(=O)NCC3=C(N(N=C3C)CCOC)C)C

DOS

IR

Vibrations