Geometry & MOs

Info

ID:	256820
PubChem CID:	103141612
Reduced:	N4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	92.08
Dipole, Da:	3.83
IP(EA), eV:	-9.45(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyloxolan-2-yl)methyl]-3-phenyl-1,4-diazepane

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(CCC3=CN=CC=C3)NN

DOS

IR

Vibrations