Geometry & MOs

Info

ID:	152052
PubChem CID:	56310903
Reduced:	FN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	364.176248
ΔH_f, kcal/mol:	-118.25
Dipole, Da:	2.6
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(difluoromethoxy)phenyl]methyl]-4-[(2-fluorophenyl)methyl]-1,4-diazepane

Drug info:

PubChemData

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COC(=O)C1=CC(=CC=C1)OCCN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations