Geometry & MOs

Info

ID:	45687
PubChem CID:	10516536
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	1.45
IP(EA), eV:	-8.9(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C[C@@]12[C@@H](O1)[C@H]([C@]3(C2CN(CC3)CC4=CC=CC=C4)O)O

DOS

IR

Vibrations