Geometry & MOs

Info

ID:	290697
PubChem CID:	109817145
Reduced:	O3N5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-34.34
Dipole, Da:	8.17
IP(EA), eV:	-9.27(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[2-(4-methylpyrazol-1-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCCCCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations