Geometry & MOs

Info

ID:	392865
PubChem CID:	135018230
Reduced:	AuNOPC31H46 (1)
Stoich.:	ABCDE31F46 (1)
Weight, g/mol:	327.1293
ΔH_f, kcal/mol:	78.8
Dipole, Da:	19.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.766797
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

[CH3-].C1COCCN1C2=CC=CC=C2[PH+](C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7.[Au+]

DOS

IR

Vibrations