Geometry & MOs

Info

ID:	201359
PubChem CID:	79527397
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-61.9
Dipole, Da:	4.8
IP(EA), eV:	-8.81(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)NC2=CN(N=C2)CC(=O)N

DOS

IR

Vibrations