Geometry & MOs

Info

ID:	187573
PubChem CID:	77593752
Reduced:	ClO2N3F4H24C25 (1)
Stoich.:	AB2C3D4E24F25 (1)
Weight, g/mol:	157.110279
ΔH_f, kcal/mol:	-219.63
Dipole, Da:	6.14
IP(EA), eV:	-9.18(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(methylaminomethyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C(C1=CC=C(C=C1)Cl)NCCC(C2=CC(=C(C=C2)F)OC)C3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations