Geometry & MOs

Info

ID:	311235
PubChem CID:	126589995
Reduced:	NC21H21 (1)
Stoich.:	AB21C21 (1)
Weight, g/mol:	299.131014
ΔH_f, kcal/mol:	70.71
Dipole, Da:	1.87
IP(EA), eV:	-8.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,19-dimethyl-3-oxa-16-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,17,19-nonaene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC(=C(C=C2)C=C)C3C=CC=CN3)C

DOS

IR

Vibrations