Geometry & MOs

Info

ID:	436356
PubChem CID:	135199335
Reduced:	N2O7C27H34 (1)
Stoich.:	A2B7C27D34 (1)
Weight, g/mol:	359.131014
ΔH_f, kcal/mol:	-269.86
Dipole, Da:	4.83
IP(EA), eV:	-9.31(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(4-methylphenyl)-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C1CCCC1)C2=CC=CC=C2)OC(=O)[C@H](C)NC(=O)C3=NC=CC(=C3OCOC(=O)C)OC

DOS

IR

Vibrations