Geometry & MOs

Info

ID:	327954
PubChem CID:	126691496
Reduced:	N7C19H19 (1)
Stoich.:	A7B19C19 (1)
Weight, g/mol:	406.284495
ΔH_f, kcal/mol:	129.56
Dipole, Da:	3.88
IP(EA), eV:	-8.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,7-tetraen-4-yl)-N'-[(E)-2-(2-methyliminopropylideneamino)prop-1-enyl]butanimidamide

Drug info:

PubChemData

Smile

CC1=CN=C(C2N1NC(=N2)CCC3=NC4=C(N3)C=CC5=C4C=CC=N5)C

DOS

IR

Vibrations