Geometry & MOs

Info

ID:	191544
PubChem CID:	78162318
Reduced:	N5O5C26H31 (1)
Stoich.:	A5B5C26D31 (1)
Weight, g/mol:	519.202128
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	9.73
IP(EA), eV:	-9.16(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[(1-naphthalen-1-ylethylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)C(=O)N5CCOCC5C

DOS

IR

Vibrations