Geometry & MOs

Info

ID:	435186
PubChem CID:	135183595
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	687.297618
ΔH_f, kcal/mol:	-100.16
Dipole, Da:	5.78
IP(EA), eV:	-9.2(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-[[3-[2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzoxazol-5-yl]-2-methylphenyl]methoxy]-4-chloro-2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=C)N1CCN(CC1C(=O)O)C(=O)C=C

DOS

IR

Vibrations