Geometry & MOs

Info

ID:	423446
PubChem CID:	135119517
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	368.188212
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	4.4
IP(EA), eV:	-9.05(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-ethyl-7-methylsulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCC(=O)N(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations