Geometry & MOs

Info

ID:	249784
PubChem CID:	103092068
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	163.110947
ΔH_f, kcal/mol:	-41.7
Dipole, Da:	2.52
IP(EA), eV:	-8.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-4-pyrimidin-4-ylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC2=C(C(=C1)Cl)OCO2)NC

DOS

IR

Vibrations