Geometry & MOs

Info

ID:	291269
PubChem CID:	111978351
Reduced:	IN6C23H31 (1)
Stoich.:	AB6C23D31 (1)
Weight, g/mol:	390.253195
ΔH_f, kcal/mol:	77.6
Dipole, Da:	3.04
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(naphthalen-1-ylmethyl)-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=CC2=CC=CC=C21)NC3CCC4=NC(=NN4C3)C(C)C.I

DOS

IR

Vibrations