Geometry & MOs

Info

ID:	323233
PubChem CID:	126673743
Reduced:	ClON4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	133.073893
ΔH_f, kcal/mol:	62.5
Dipole, Da:	7.86
IP(EA), eV:	-9.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanamide;formic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC(=N2)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations