Geometry & MOs

Info

ID:	323977
PubChem CID:	126676707
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-157.97
Dipole, Da:	2.48
IP(EA), eV:	-9.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-4-hydroxy-2-[3-(hydroxymethyl)phenyl]pentyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=O)OC)C2CC2

DOS

IR

Vibrations