Geometry & MOs

Info

ID:	68656
PubChem CID:	46508845
Reduced:	F3N3O4C21H26 (1)
Stoich.:	A3B3C4D21E26 (1)
Weight, g/mol:	395.253255
ΔH_f, kcal/mol:	-317.68
Dipole, Da:	1.79
IP(EA), eV:	-8.5(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-1-butylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1C2=CC3=C(C=C2C4(CCCC4)CN1CC(=O)NC(=O)NCC(F)(F)F)OCCO3

DOS

IR

Vibrations