Geometry & MOs

Info

ID:	252663
PubChem CID:	103113080
Reduced:	O4N5C11H17 (1)
Stoich.:	A4B5C11D17 (1)
Weight, g/mol:	292.105922
ΔH_f, kcal/mol:	-118.7
Dipole, Da:	4.16
IP(EA), eV:	-9.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-3-nitrophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=CN(N=N1)CC(=O)O

DOS

IR

Vibrations