Geometry & MOs

Info

ID:	449771
PubChem CID:	135301299
Reduced:	N8C23H26 (1)
Stoich.:	A8B23C26 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	119.41
Dipole, Da:	3.42
IP(EA), eV:	-8.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclopropyl-2,4-dimethyl-3-oxopentan-2-yl) N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1C2=CN=C3N2C=C(C=C3)NC4=CN=CC=C4)NC5CCC(CC5)N

DOS

IR

Vibrations