Geometry & MOs

Info

ID:	289869
PubChem CID:	104380528
Reduced:	ClON4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	273.168856
ΔH_f, kcal/mol:	-31.92
Dipole, Da:	4.97
IP(EA), eV:	-9.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl-propylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)N(C(=N2)CCCl)CC(=O)NCC(C)C

DOS

IR

Vibrations