Geometry & MOs

Info

ID:	320290
PubChem CID:	126659318
Reduced:	N5C9H11 (1)
Stoich.:	A5B9C11 (1)
Weight, g/mol:	444.241293
ΔH_f, kcal/mol:	93.97
Dipole, Da:	2.73
IP(EA), eV:	-8.81(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(E)-N-[(4-cyclohexa-1,3-dien-1-ylphenyl)methoxy]-C-methylcarbonimidoyl]phenyl]methyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(NC=C2CCN=NN)N=C1

DOS

IR

Vibrations