Geometry & MOs

Info

ID:	271346
PubChem CID:	103655088
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	291.204573
ΔH_f, kcal/mol:	-24.64
Dipole, Da:	2.65
IP(EA), eV:	-9.13(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

Drug info:

PubChemData

Smile

C1COCCC1(CO)NCC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations