Geometry & MOs

Info

ID:	325502
PubChem CID:	126683673
Reduced:	O2N9C24H27 (1)
Stoich.:	A2B9C24D27 (1)
Weight, g/mol:	491.246044
ΔH_f, kcal/mol:	95.81
Dipole, Da:	5.75
IP(EA), eV:	-9.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-3-methyl-5-[(2R,4S)-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CCC(=C)NC(=O)C1=NC(=NC(=N1)OCC2(CC2)C#N)N3CCC(CC3)C4=C5C=CC=NC5=NN4

DOS

IR

Vibrations