Geometry & MOs

Info

ID:	159769
PubChem CID:	57288731
Reduced:	NOC21H27 (1)
Stoich.:	ABC21D27 (1)
Weight, g/mol:	550.262028
ΔH_f, kcal/mol:	8.99
Dipole, Da:	1.91
IP(EA), eV:	-8.52(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2-cyclopropyl-N-tritylethanamine

Drug info:

PubChemData

Smile

CCC(CC=CC1=CC=CC=C1)(C2=CC=C(C=C2)OC)N(C)C

DOS

IR

Vibrations