Geometry & MOs

Info

ID:	155414
PubChem CID:	56355051
Reduced:	O4N6H22C23 (1)
Stoich.:	A4B6C22D23 (1)
Weight, g/mol:	361.225308
ΔH_f, kcal/mol:	-10.42
Dipole, Da:	8.31
IP(EA), eV:	-8.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]-methylamino]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1C=C(N2)C(=O)NC3=CN(N=C3)CC4=CN5C=CC=CC5=N4)OC)OC

DOS

IR

Vibrations