Geometry & MOs

Info

ID:	291386
PubChem CID:	112252151
Reduced:	BrSN5C19H26 (1)
Stoich.:	ABC5D19E26 (1)
Weight, g/mol:	382.193966
ΔH_f, kcal/mol:	64.28
Dipole, Da:	6.58
IP(EA), eV:	-8.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CCNC(=NC)NCC2CCN(C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations