Geometry & MOs

Info

ID:	420523
PubChem CID:	135113616
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	3.12
IP(EA), eV:	-9.29(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-2-benzyl-7-(2-methoxyacetyl)-N-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CNC(=O)CC(C)N2C(=C(C(=N2)C)C(=O)C)C

DOS

IR

Vibrations