Geometry & MOs

Info

ID:	216887
PubChem CID:	85086929
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-94.64
Dipole, Da:	4.82
IP(EA), eV:	-9.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-ethyl-17-oxa-8,16-diazapentacyclo[10.7.1.01,9.02,7.016,20]icosa-2,4,6,8-tetraen-18-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)OC2CCC3=CC(=O)CCC23C)C

DOS

IR

Vibrations