Geometry & MOs

Info

ID:	431813
PubChem CID:	135171919
Reduced:	ClO2N3C27H38 (1)
Stoich.:	AB2C3D27E38 (1)
Weight, g/mol:	239.224915
ΔH_f, kcal/mol:	-91.3
Dipole, Da:	6.33
IP(EA), eV:	-8.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxycyclobutyl)-N-(2-methylpropyl)cyclohexanamine

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations