Geometry & MOs

Info

ID:	180964
PubChem CID:	76712455
Reduced:	ClNO3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	3.31
IP(EA), eV:	-9.36(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-3-[4-(hydroxymethyl)phenyl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C)(CC1=CC=C(C=C1)CO)N=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations