Geometry & MOs

Info

ID:	989
PubChem CID:	3627
Reduced:	ClN2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	314.154976
ΔH_f, kcal/mol:	43.07
Dipole, Da:	3.43
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations