Geometry & MOs

Info

ID:	380201
PubChem CID:	134970563
Reduced:	N7O12C43H75 (1)
Stoich.:	A7B12C43D75 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-528.71
Dipole, Da:	9.54
IP(EA), eV:	-9.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-pent-4-ynyl-1-phenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)CC(C)CC(C)/C=C(\C)/C1C(CCC(O1)(C(C)(CNC2C(OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN(C(=O)C3CCCNN3C2=O)O)C)C)C(C)C)O)O)OC

DOS

IR

Vibrations