Geometry & MOs

Info

ID:	435520
PubChem CID:	135191711
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	661.298079
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	5.25
IP(EA), eV:	-9.68(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,20,22-nonaen-10-yl]-diphenylmethanol

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3CCC3(O2)C(=N)CCCl

DOS

IR

Vibrations