Geometry & MOs

Info

ID:	152369
PubChem CID:	56311284
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	386.200571
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	4.02
IP(EA), eV:	-9.04(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[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)C(=O)C

DOS

IR

Vibrations