Geometry & MOs

Info

ID:	172990
PubChem CID:	75579958
Reduced:	O7C20H21 (2)
Stoich.:	A7B20C21 (2)
Weight, g/mol:	300.220164
ΔH_f, kcal/mol:	-536.91
Dipole, Da:	5.95
IP(EA), eV:	-8.61(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(propylamino)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(O)OC2C(C(OC(C2OC(CCC3=CC=C(C=C3)C)O)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)O)O

DOS

IR

Vibrations