Geometry & MOs

Info

ID:	433721
PubChem CID:	135173861
Reduced:	SF2O5N9C41H43 (1)
Stoich.:	AB2C5D9E41F43 (1)
Weight, g/mol:	163.099714
ΔH_f, kcal/mol:	-132.07
Dipole, Da:	11.89
IP(EA), eV:	-8.27(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-(methylamino)ethyl]benzaldehyde

Drug info:

PubChemData

Smile

CCCS(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC4)CCOC5=CC=CC6=C5C(=O)N(C6=O)C7CCCNC7=O)C8=CN=CN=C8)F

DOS

IR

Vibrations