Geometry & MOs

Info

ID:	147707
PubChem CID:	53787364
Reduced:	N3C22H29 (1)
Stoich.:	A3B22C29 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	40.99
Dipole, Da:	2.72
IP(EA), eV:	-7.79(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(1,4-diazepan-1-ylmethyl)-2-methyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCNCC2CCN3CCCC4=CC=CC=C43

DOS

IR

Vibrations