Geometry & MOs

Info

ID:	143866
PubChem CID:	53272945
Reduced:	BrSN2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	34.55
Dipole, Da:	3.28
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)CNCC2=NC=C(S2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations