Geometry & MOs

Info

ID:	290258
PubChem CID:	104423689
Reduced:	SN2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	261.195346
ΔH_f, kcal/mol:	-6.83
Dipole, Da:	1.62
IP(EA), eV:	-8.36(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2H-benzotriazol-5-ylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(C)NCCCNCC1CC2=CC=CC=C2S1

DOS

IR

Vibrations