Geometry & MOs

Info

ID:	141293
PubChem CID:	52854751
Reduced:	FOSN3C24H27 (1)
Stoich.:	ABCD3E24F27 (1)
Weight, g/mol:	429.241627
ΔH_f, kcal/mol:	11.13
Dipole, Da:	18.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.137206
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylmethoxypyridin-4-yl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[NH+](CCN(C1)C(=O)C2=CN=C(S2)C3=CC=CC=C3F)CCCC4=CC=CC=C4

DOS

IR

Vibrations