Geometry & MOs

Info

ID:	227592
PubChem CID:	87562058
Reduced:	O4N5C21H21 (1)
Stoich.:	A4B5C21D21 (1)
Weight, g/mol:	126.115698
ΔH_f, kcal/mol:	-60.07
Dipole, Da:	3.94
IP(EA), eV:	-8.35(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-ethylpyrrolidin-2-yl]methanimine

Drug info:

PubChemData

Smile

CC(C)C1=C/C(=C/2\NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)/C(=O)C=C1OC(=O)N

DOS

IR

Vibrations