Geometry & MOs

Info

ID:	201360
PubChem CID:	79527398
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-158.31
Dipole, Da:	3.67
IP(EA), eV:	-9.38(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)NC(=O)C1CCC(CC1)CN

DOS

IR

Vibrations