Geometry & MOs

Info

ID:	25983
PubChem CID:	635199
Reduced:	O3C30H50 (1)
Stoich.:	A3B30C50 (1)
Weight, g/mol:	458.212491
ΔH_f, kcal/mol:	-225.16
Dipole, Da:	4.31
IP(EA), eV:	-9.51(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(24-chloro-12-azatetracyclo[11.10.1.02,11.05,10]tetracosa-1,3,5,7,9,11,13(24)-heptaen-4-yl)-pyridin-2-ylmethanol

Drug info:

PubChemData

Smile

CC(C)C(C)CCC(C)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C

DOS

IR

Vibrations