Geometry & MOs

Info

ID:	186997
PubChem CID:	77513911
Reduced:	N2O3C9H12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	395.303559
ΔH_f, kcal/mol:	-96.05
Dipole, Da:	4.7
IP(EA), eV:	-10.01(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,1-bis(2,2-dimethylpropoxy)propan-2-ylamino]-3-phenylmethoxypropan-1-ol

Drug info:

PubChemData

Smile

C1C(C(OC1C2=NC=CC=N2)CO)O

DOS

IR

Vibrations