Geometry & MOs

Info

ID:	69214
PubChem CID:	46530463
Reduced:	O2N6H26C29 (1)
Stoich.:	A2B6C26D29 (1)
Weight, g/mol:	432.196154
ΔH_f, kcal/mol:	92.75
Dipole, Da:	5.36
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations