Geometry & MOs

Info

ID:	290316
PubChem CID:	104427004
Reduced:	BrON4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-20.27
Dipole, Da:	6.61
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CCN1C2=C(C=CC(=C2)Br)N=C1N

DOS

IR

Vibrations