Geometry & MOs

Info

ID:	447296
PubChem CID:	135281809
Reduced:	FO2N4C24H31 (1)
Stoich.:	AB2C4D24E31 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	2.23
IP(EA), eV:	-9.02(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-cyclopropyl-3-pyridin-4-ylpropanal

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@@H](NC1)C(=O)NC2=C(C=CC(=C2)CC[C@](C3CC3)(C4=CC=NC=C4)N)F

DOS

IR

Vibrations