Geometry & MOs

Info

ID:	290712
PubChem CID:	109817220
Reduced:	ION4C16H33 (1)
Stoich.:	ABC4D16E33 (1)
Weight, g/mol:	310.273262
ΔH_f, kcal/mol:	-75.6
Dipole, Da:	6.63
IP(EA), eV:	-9.05(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4-dimethylpentyl)-1-ethyl-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCCCC(C)(C)C.I

DOS

IR

Vibrations