Geometry & MOs

Info

ID:	206385
PubChem CID:	80242263
Reduced:	BrNOSC14H14 (1)
Stoich.:	ABCDE14F14 (1)
Weight, g/mol:	265.186421
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	2.31
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-[(4-methylthiophen-3-yl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)C(=O)NCC2=CSC=C2C

DOS

IR

Vibrations