Geometry & MOs

Info

ID:	75071
PubChem CID:	48422950
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	334.205656
ΔH_f, kcal/mol:	-138.34
Dipole, Da:	3.64
IP(EA), eV:	-8.72(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations