Geometry & MOs

Info

ID:	290706
PubChem CID:	109817177
Reduced:	ClFON4C19H28 (1)
Stoich.:	ABCD4E19F28 (1)
Weight, g/mol:	366.299476
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	2.09
IP(EA), eV:	-9.1(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-tert-butyloxan-3-yl)methyl]-1-ethyl-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC(C)(C)C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations