Geometry & MOs

Info

ID:	138577
PubChem CID:	52387198
Reduced:	FO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	278.223238
ΔH_f, kcal/mol:	-92.6
Dipole, Da:	1.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789790
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-[3-[(2S)-oxolan-2-yl]propyl]azanium

Drug info:

PubChemData

Smile

CCC1=[N+](C=CN1)CCCNC(=O)CCNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations