Geometry & MOs

Info

ID:	185718
PubChem CID:	77338055
Reduced:	BN4O6C13H18 (1)
Stoich.:	AB4C6D13E18 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	-183.83
Dipole, Da:	6.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759708
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methylpentan-2-yl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

[B](C(=O)OCC)N1CN(C2=NC=NC(=O)C21)C3CC(C(O3)CO)O

DOS

IR

Vibrations