Geometry & MOs

Info

ID:	290678
PubChem CID:	109817071
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	298.236876
ΔH_f, kcal/mol:	19.2
Dipole, Da:	6.98
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-butoxyethyl)-2-methyl-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC2=CC=CC=C2N3C=CN=C3)NCC

DOS

IR

Vibrations