Geometry & MOs

Info

ID:	170230
PubChem CID:	75209669
Reduced:	N2O2F3H17C20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	454.200491
ΔH_f, kcal/mol:	-167.13
Dipole, Da:	3.19
IP(EA), eV:	-9.28(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations