Geometry & MOs

Info

ID:	44511
PubChem CID:	10503856
Reduced:	O4N7C22H27 (1)
Stoich.:	A4B7C22D27 (1)
Weight, g/mol:	453.194008
ΔH_f, kcal/mol:	-110.89
Dipole, Da:	6.14
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-phenylmethoxynaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)NC(=NCCC3=CN=CN3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations