Geometry & MOs

Info

ID:	306288
PubChem CID:	125003584
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	473.267842
ΔH_f, kcal/mol:	-15.69
Dipole, Da:	4.4
IP(EA), eV:	-9.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=NC(=NC=C1)[C@H]2CN(CCO2)C(=O)CC3=CSC=C3

DOS

IR

Vibrations