Geometry & MOs

Info

ID:	165869
PubChem CID:	74607145
Reduced:	BrO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	481.268905
ΔH_f, kcal/mol:	15.93
Dipole, Da:	4.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.886611
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-(3-methoxypropyl)amino]-N-phenyl-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NCC(C3=CC=CO3)[NH+](C)C

DOS

IR

Vibrations