Geometry & MOs

Info

ID:	200380
PubChem CID:	79380604
Reduced:	FO2N4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	3.82
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-5-[[4-(cyclopropylamino)-4-oxobutyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCCNC2=C(C=C(C(=C2)C(=O)N)N)F

DOS

IR

Vibrations