Geometry & MOs

Info

ID:	146805
PubChem CID:	53753181
Reduced:	OC63H92 (1)
Stoich.:	AB63C92 (1)
Weight, g/mol:	203.079373
ΔH_f, kcal/mol:	-108.25
Dipole, Da:	1.53
IP(EA), eV:	-8.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-hydroxy-7-nitrohept-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=CC3=C(C=C(C=C3C=C2C(C)(C)C(C)C)C(C)(C)C(C)C)C(C)(C)C(C)C)C4=CC5=C(C=C(C=C5C=C4C(C)(C)C(C)C)C(C)(C)C(C)C)C(C)(C)C(C)C

DOS

IR

Vibrations