Geometry & MOs

Info

ID:

381304

PubChem CID:

134971996

Reduced:

NOC18H20 (1)

Stoich.:

ABC18D20 (1)

Weight, g/mol:

238.025753

ΔHf, kcal/mol:

41.57

Dipole, Da:

6.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.988681

Charge, e:

 0

Chem-info

IUPAC name:

methyl (Z)-2-azido-3-(4-chloropyridin-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=O)/C=C/C2=C[CH]C=C2

DOS

IR

Vibrations