Geometry & MOs

Info

ID:	423916
PubChem CID:	135120750
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	413.206304
ΔH_f, kcal/mol:	-54.85
Dipole, Da:	3.64
IP(EA), eV:	-8.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(19R,21R)-6-methoxy-21-methyl-8-oxa-1,11,12,13,18-pentazatetracyclo[17.2.2.13,7.111,14]pentacosa-3(25),4,6,12,14(24)-pentaene-2,17-dione

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=NC=CN3C4=CC=C(C=C4)OC)O

DOS

IR

Vibrations