Geometry & MOs

Info

ID:	231998
PubChem CID:	87575092
Reduced:	O2N3H21C23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	379.135049
ΔH_f, kcal/mol:	10.23
Dipole, Da:	5.0
IP(EA), eV:	-9.36(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3-fluoro-4-methylphenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde;hydrochloride

Drug info:

PubChemData

Smile

C/C(=C/1\C(=O)NC(C(=O)N1)(C)CC2=CC=CC=C2)/C3=C(C=CC=C3C#N)C=C

DOS

IR

Vibrations