Geometry & MOs

Info

ID:	152051
PubChem CID:	56310902
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	386.200571
ΔH_f, kcal/mol:	-60.86
Dipole, Da:	5.42
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethoxy]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations