Geometry & MOs

Info

ID:	431420
PubChem CID:	135171495
Reduced:	ClO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	169.18305
ΔH_f, kcal/mol:	1.7
Dipole, Da:	2.16
IP(EA), eV:	-8.46(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-tert-butyl-N-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC=C(C=C2)C=O)C3=C(C(=CC=C3)NC)Cl

DOS

IR

Vibrations