Geometry & MOs

Info

ID:	179283
PubChem CID:	76461351
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	360.12407
ΔH_f, kcal/mol:	34.52
Dipole, Da:	5.14
IP(EA), eV:	-9.97(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-chloro-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC(=C)CC1(CCCC2C1(O2)CCC(C#C)N=[N+]=[N-])O

DOS

IR

Vibrations