Geometry & MOs

Info

ID:	444551
PubChem CID:	135262835
Reduced:	ON4C29H32 (1)
Stoich.:	AB4C29D32 (1)
Weight, g/mol:	401.06029
ΔH_f, kcal/mol:	28.93
Dipole, Da:	1.15
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=CC4=C(C=C3)N=C(N4)C)N5CCCCC5

DOS

IR

Vibrations