Geometry & MOs

Info

ID:	187265
PubChem CID:	77552807
Reduced:	ClO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-11.44
Dipole, Da:	2.63
IP(EA), eV:	-8.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(aminomethyl)cyclohexyl]methylamino]-2-cyclohexylacetic acid

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)N(C(=O)C(C2)N)O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations