Geometry & MOs

Info

ID:	291229
PubChem CID:	111978216
Reduced:	ON2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	438.245333
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	2.57
IP(EA), eV:	-8.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(naphthalen-1-ylmethyl)-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]guanidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(CC1)NC(=NC)NCC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations