Geometry & MOs

Info

ID:	144069
PubChem CID:	53307319
Reduced:	N5C12H25 (1)
Stoich.:	A5B12C25 (1)
Weight, g/mol:	317.234624
ΔH_f, kcal/mol:	25.99
Dipole, Da:	1.97
IP(EA), eV:	-9.34(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[N'-(cyclohexylmethyl)carbamimidoyl]-2-hexylguanidine;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCN=C(N)NC(=NCC1CC1)N

DOS

IR

Vibrations