Geometry & MOs

Info

ID:	340211
PubChem CID:	127262220
Reduced:	ClN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	254.082205
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	0.83
IP(EA), eV:	-9.65(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl N-benzoyl-N-chlorocarbamimidate

Drug info:

PubChemData

Smile

CC(C)OC(=N)N(C(=O)C1=CC=CC=C1)Cl

DOS

IR

Vibrations