Geometry & MOs

Info

ID:	422375
PubChem CID:	135117710
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	400.185903
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	4.46
IP(EA), eV:	-9.23(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(20S,21R)-21-methoxy-9-oxa-1,4,12,13,14,19-hexazatetracyclo[18.3.1.112,15.03,8]pentacosa-3(8),4,6,13,15(25)-pentaene-2,18-dione

Drug info:

PubChemData

Smile

CCC(CC)N[C@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations