Geometry & MOs

Info

ID:	416420
PubChem CID:	135089433
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-54.49
Dipole, Da:	6.5
IP(EA), eV:	-9.19(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-7-(4-amino-5-methylpyrimidin-2-yl)-2-ethyl-N-methyl-N-(oxan-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N(CCO)CC1=CN=CN1C)C2=CC=CC=C2

DOS

IR

Vibrations