Geometry & MOs

Info

ID:	418503
PubChem CID:	135105361
Reduced:	N6C19H26 (1)
Stoich.:	A6B19C26 (1)
Weight, g/mol:	392.231122
ΔH_f, kcal/mol:	73.0
Dipole, Da:	2.46
IP(EA), eV:	-8.53(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCCC2)N3CCC4=C(C3)C(=NN4)C5CC5

DOS

IR

Vibrations