Geometry & MOs

Info

ID:	81546
PubChem CID:	49854850
Reduced:	N3C20H29 (1)
Stoich.:	A3B20C29 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	39.5
Dipole, Da:	3.32
IP(EA), eV:	-8.08(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-4-ethyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=CC=C(C=C3)N4CCN5CCCC5C4

DOS

IR

Vibrations