Geometry & MOs

Info

ID:	155139
PubChem CID:	56320743
Reduced:	FO3N7C25H26 (1)
Stoich.:	AB3C7D25E26 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	-42.1
Dipole, Da:	6.71
IP(EA), eV:	-9.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(C=NN12)C(=O)N)C)CCC(=O)N3CCCC(C3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations