Geometry & MOs

Info

ID:	233580
PubChem CID:	91145508
Reduced:	O3C15H28 (1)
Stoich.:	A3B15C28 (1)
Weight, g/mol:	484.208611
ΔH_f, kcal/mol:	-151.59
Dipole, Da:	1.87
IP(EA), eV:	-9.18(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-imino-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3,4-dihydro-2H-azepin-1-yl]-1-(3,4,5-trifluorophenyl)propan-1-ol

Drug info:

PubChemData

Smile

CCCC(CC)OCC1C(CC(CO1)C)OC=C

DOS

IR

Vibrations