Geometry & MOs

Info

ID:	235000
PubChem CID:	92303857
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	4.19
IP(EA), eV:	-9.49(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2-chlorobenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate

Drug info:

PubChemData

Smile

C[C@H](C(C)C)N=C(NC(=O)C1=CC=CC=C1Cl)OC

DOS

IR

Vibrations