Geometry & MOs

Info

ID:	229587
PubChem CID:	87568091
Reduced:	OC6H10 (3)
Stoich.:	AB6C10 (3)
Weight, g/mol:	375.12169
ΔH_f, kcal/mol:	-127.63
Dipole, Da:	6.91
IP(EA), eV:	-10.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-difluorophenyl)methyl]-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1C(O1)CCCCCCCCC/C=C/C=C/C(=O)O

DOS

IR

Vibrations