Geometry & MOs

Info

ID:	290640
PubChem CID:	109797578
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	408.310041
ΔH_f, kcal/mol:	-11.16
Dipole, Da:	5.83
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-ethyl-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=CC=N1)NC2CCN(C2)C(=O)C3CCCCC3

DOS

IR

Vibrations