Geometry & MOs

Info

ID:	154759
PubChem CID:	56314278
Reduced:	FO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	380.226392
ΔH_f, kcal/mol:	-42.53
Dipole, Da:	4.74
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,5-dimethylphenyl)cyclopropyl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)OCC3=CN=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations