Geometry & MOs

Info

ID:	405608
PubChem CID:	135074625
Reduced:	OC14H26 (1)
Stoich.:	AB14C26 (1)
Weight, g/mol:	247.048072
ΔH_f, kcal/mol:	-69.33
Dipole, Da:	2.34
IP(EA), eV:	-9.3(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) 3-(1-hydroxycyclopropyl)prop-2-ynoate

Drug info:

PubChemData

Smile

CC(CCCO)CC/C=C(\C)/CCC=C

DOS

IR

Vibrations