Geometry & MOs

Info

ID:	178961
PubChem CID:	76408209
Reduced:	O2N7C18H23 (1)
Stoich.:	A2B7C18D23 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-12.62
Dipole, Da:	5.79
IP(EA), eV:	-9.14(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(3-aminocyclopentyl)amino]-6-methyl-1,3-diazinan-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C1NC(=O)NN1)NC2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=N3

DOS

IR

Vibrations