Geometry & MOs

Info

ID:	178935
PubChem CID:	76402907
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-55.57
Dipole, Da:	2.5
IP(EA), eV:	-8.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylmethoxyethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine

Drug info:

PubChemData

Smile

C1CN(CC(C1C2=CC3=C(C=C2)OCO3)O)CC4=CC=CC=N4

DOS

IR

Vibrations