Geometry & MOs

Info

ID:	232083
PubChem CID:	87575408
Reduced:	BrO2N7C16H18 (1)
Stoich.:	AB2C7D16E18 (1)
Weight, g/mol:	345.113171
ΔH_f, kcal/mol:	33.08
Dipole, Da:	4.97
IP(EA), eV:	-8.67(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde

Drug info:

PubChemData

Smile

C1COCCN1C2(CC=CC(=C2)NC3=NC=C(N4C3=NC=N4)Br)C(=O)N

DOS

IR

Vibrations