Geometry & MOs

Info

ID:	160067
PubChem CID:	57304593
Reduced:	BrN4O4H21C26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	1.9
Dipole, Da:	2.47
IP(EA), eV:	-9.29(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(naphthalen-1-ylmethyl)morpholin-3-yl]-4-oxobutanal

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=C(C=C2)N=C(C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=C(C=C5)Br

DOS

IR

Vibrations