Geometry & MOs

Info

ID:	296406
PubChem CID:	117571978
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-49.3
Dipole, Da:	1.85
IP(EA), eV:	-9.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-methoxyanilino)methyl]cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(C1)(CNCC2=CC=NC=C2)C(=O)O

DOS

IR

Vibrations