Geometry & MOs

Info

ID:	46613
PubChem CID:	10525581
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	409.204179
ΔH_f, kcal/mol:	-170.84
Dipole, Da:	4.59
IP(EA), eV:	-9.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-amino-1-phenyl-3-trityloxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)N2CCC(CC2)C3=CC(=CC=C3)OC(C)(C)C(=O)O)C

DOS

IR

Vibrations