Geometry & MOs

Info

ID:	188263
PubChem CID:	77690962
Reduced:	ClON3C10H14 (2)
Stoich.:	ABC3D10E14 (2)
Weight, g/mol:	532.281633
ΔH_f, kcal/mol:	-70.23
Dipole, Da:	1.84
IP(EA), eV:	-8.44(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-(2,2-dimethylpentanoyl)pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)NC(=NC)C=C(N)N(C)C1CCCN(C1)C(=O)CNC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations