Geometry & MOs

Info

ID:	412746
PubChem CID:	135085660
Reduced:	ClN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	160.084792
ΔH_f, kcal/mol:	-55.67
Dipole, Da:	0.9
IP(EA), eV:	-9.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(Z)-4-hydroxybutan-2-ylideneamino]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)N/N=C(/C1=CC=C(C=C1)C)\Cl

DOS

IR

Vibrations