Geometry & MOs

Info

ID:	143705
PubChem CID:	53251093
Reduced:	ClN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	316.168797
ΔH_f, kcal/mol:	-41.03
Dipole, Da:	1.78
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-pyrimidin-5-ylethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene

Drug info:

PubChemData

Smile

CN1CCOC(C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations