Geometry & MOs

Info

ID:	154234
PubChem CID:	56313640
Reduced:	FO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	386.156119
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	2.7
IP(EA), eV:	-8.88(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)cyclopropyl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C=C1C2=CC=CC=C2C(=O)N1CC(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations