Geometry & MOs

Info

ID:	217145
PubChem CID:	85087323
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	21.25
Dipole, Da:	12.28
IP(EA), eV:	-9.0(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 11-(furan-3-yl)-15-methyl-8,12-diazatetracyclo[10.2.1.01,9.02,7]pentadeca-2,4,6,9-tetraene-10-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(C2=NNC3=CC=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations