Geometry & MOs

Info

ID:	148385
PubChem CID:	53788047
Reduced:	ClNO3C29H42 (1)
Stoich.:	ABC3D29E42 (1)
Weight, g/mol:	249.115364
ΔH_f, kcal/mol:	-151.08
Dipole, Da:	2.85
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaen-8-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C(=O)NC1=CC=C(C=C1)OCCC)OC2=CC=CC=C2Cl

DOS

IR

Vibrations