Geometry & MOs

Info

ID:	431823
PubChem CID:	135171929
Reduced:	O3N4C29H32 (1)
Stoich.:	A3B4C29D32 (1)
Weight, g/mol:	237.24565
ΔH_f, kcal/mol:	-42.35
Dipole, Da:	2.56
IP(EA), eV:	-8.6(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylcyclobutyl)-N-(2-methylpropyl)cyclohexanamine

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=C(C=NC=C3)C(=O)O)NC4=NC5=CC=CC=C5O4

DOS

IR

Vibrations