Geometry & MOs

Info

ID:	160101
PubChem CID:	57304724
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	442.207885
ΔH_f, kcal/mol:	33.76
Dipole, Da:	2.17
IP(EA), eV:	-9.13(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cycloheptyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C13CCNCC3

DOS

IR

Vibrations