Geometry & MOs

Info

ID:	45657
PubChem CID:	10516133
Reduced:	N5C15H19 (1)
Stoich.:	A5B15C19 (1)
Weight, g/mol:	269.177964
ΔH_f, kcal/mol:	64.05
Dipole, Da:	2.34
IP(EA), eV:	-8.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(dibenzylamino)butan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)NCC=C)C)C

DOS

IR

Vibrations