Geometry & MOs

Info

ID:	134429
PubChem CID:	51695255
Reduced:	FO4N5H15C22 (1)
Stoich.:	AB4C5D15E22 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-10.21
Dipole, Da:	1.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.926033
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CN3C(=O)[N+]4=CC=CC(=C4N3)C5=NC(=NO5)C6=CC(=CC=C6)F

DOS

IR

Vibrations