Geometry & MOs

Info

ID:	197012
PubChem CID:	78909398
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	145.146664
ΔH_f, kcal/mol:	-126.73
Dipole, Da:	5.83
IP(EA), eV:	-8.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(butylamino)butan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC=C2OC)OC)O

DOS

IR

Vibrations