Geometry & MOs

Info

ID:	180631
PubChem CID:	76662381
Reduced:	FO2N3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	445.237685
ΔH_f, kcal/mol:	-119.46
Dipole, Da:	1.16
IP(EA), eV:	-9.31(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]methyl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=NC1(C)C2=C(C=CC(=C2)CC3CC4CC3CC4O)F)N)C)C

DOS

IR

Vibrations