Geometry & MOs

Info

ID:	277332
PubChem CID:	103827895
Reduced:	NO2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	362.00885
ΔH_f, kcal/mol:	-106.53
Dipole, Da:	2.08
IP(EA), eV:	-9.28(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-1-(2-bromo-5-methoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CC1C(CCO1)N[C@@H](C)CO

DOS

IR

Vibrations