Geometry & MOs

Info

ID:	231009
PubChem CID:	87572440
Reduced:	N2O3H12C17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	9.05
Dipole, Da:	7.85
IP(EA), eV:	-8.53(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-1-(2-methylbutylamino)-1-oxopentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

COC1=CC2=COC(=C2C=C1)C3=C(N=C4N3C=CC=C4)C=O

DOS

IR

Vibrations