Geometry & MOs

Info

ID:	376235
PubChem CID:	134222245
Reduced:	N2C23H23 (1)
Stoich.:	A2B23C23 (1)
Weight, g/mol:	337.188923
ΔH_f, kcal/mol:	97.4
Dipole, Da:	4.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.989623
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-hydroxy-2-methyl-6-(phenylmethoxymethyl)morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+]#N

DOS

IR

Vibrations