Geometry & MOs

Info

ID:	390565
PubChem CID:	134999734
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-6.69
Dipole, Da:	2.22
IP(EA), eV:	-9.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5,5,6-trimethyl-9-phenyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-diene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC#CC1=NC2=CC=CC=C2N=C1

DOS

IR

Vibrations