Geometry & MOs

Info

ID:	324119
PubChem CID:	126676952
Reduced:	NSO6C19H27 (1)
Stoich.:	ABC6D19E27 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-251.03
Dipole, Da:	3.11
IP(EA), eV:	-8.71(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-(hydroxymethyl)-4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=C(C1)COS(=O)(=O)C)C2=CC=C(C=C2)OC

DOS

IR

Vibrations