Geometry & MOs

Info

ID:	378366
PubChem CID:	134224445
Reduced:	N4O5C32H32 (1)
Stoich.:	A4B5C32D32 (1)
Weight, g/mol:	187.193614
ΔH_f, kcal/mol:	-127.97
Dipole, Da:	2.83
IP(EA), eV:	-8.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hexan-2-yl(methyl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations