Geometry & MOs

Info

ID:	187029
PubChem CID:	77521249
Reduced:	O5N7C37H49 (1)
Stoich.:	A5B7C37D49 (1)
Weight, g/mol:	354.155512
ΔH_f, kcal/mol:	-180.82
Dipole, Da:	5.77
IP(EA), eV:	-8.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-phenyl-1-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=CN2)C(C)C(C(=O)N3CCC(CC3)N4CCC(CC4)O)OC(=O)N5CCC(CC5)N6CCC7=CC=CC=C7NC6=O

DOS

IR

Vibrations