Geometry & MOs

Info

ID:	230148
PubChem CID:	87570300
Reduced:	NSH17C21 (2)
Stoich.:	ABC17D21 (2)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	186.69
Dipole, Da:	3.21
IP(EA), eV:	-7.76(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-but-1-enyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC3=C1C=CC(=C3)/C=C/C4(C=CC(=CC4)C5=CC=CC=C5)/C=C/C6=CC7=C(N(C8=CC=CC=C8S7)C)C=C6

DOS

IR

Vibrations