Geometry & MOs

Info

ID:	291257
PubChem CID:	111978311
Reduced:	ION5C26H42 (1)
Stoich.:	ABC5D26E42 (1)
Weight, g/mol:	362.08546
ΔH_f, kcal/mol:	-33.57
Dipole, Da:	6.29
IP(EA), eV:	-9.0(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC3CCN(CC3)CC(=C)C.I

DOS

IR

Vibrations