Geometry & MOs

Info

ID:	155898
PubChem CID:	56368201
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	417.186398
ΔH_f, kcal/mol:	-33.75
Dipole, Da:	3.67
IP(EA), eV:	-8.23(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCNC(=O)C2=NN(C(C2)C(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations