Geometry & MOs

Info

ID:	144065
PubChem CID:	53307315
Reduced:	SO2N9C21H29 (1)
Stoich.:	AB2C9D21E29 (1)
Weight, g/mol:	263.187674
ΔH_f, kcal/mol:	0.64
Dipole, Da:	7.29
IP(EA), eV:	-8.88(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NC(C1=NC2=NC=NC=C2N1)NC(=O)C3=CN=C(S3)N4CCN(CC4)C

DOS

IR

Vibrations