Geometry & MOs

Info

ID:	306289
PubChem CID:	125003597
Reduced:	N3O3C29H35 (1)
Stoich.:	A3B3C29D35 (1)
Weight, g/mol:	473.267842
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	6.58
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-morpholin-4-ylethoxy)phenyl]-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@H](CCN(C1)C(=O)C2=CC=CC=C2OCCN3CCOCC3)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations