Geometry & MOs

Info

ID:	291266
PubChem CID:	111978347
Reduced:	BrIN6C19H28 (1)
Stoich.:	ABC6D19E28 (1)
Weight, g/mol:	418.14806
ΔH_f, kcal/mol:	57.8
Dipole, Da:	2.12
IP(EA), eV:	-9.23(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl]-1-ethyl-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)NC2CCC3=NC(=NN3C2)C(C)C.I

DOS

IR

Vibrations