Geometry & MOs

Info

ID:	319619
PubChem CID:	126656811
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	310.204513
ΔH_f, kcal/mol:	-44.08
Dipole, Da:	4.17
IP(EA), eV:	-7.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,15R)-17-ethyl-16-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol

Drug info:

PubChemData

Smile

CC[C@H]1[C@H](C2=CN3C1[C@@H](C2)C4=C(CC3)C5=C(N4C(=O)OCCN(C)C)C=CC(=C5)O)C

DOS

IR

Vibrations