Geometry & MOs

Info

ID:	187681
PubChem CID:	77609425
Reduced:	ClO4N8C38H45 (1)
Stoich.:	AB4C8D38E45 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-109.91
Dipole, Da:	6.73
IP(EA), eV:	-8.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one

Drug info:

PubChemData

Smile

CC1CNCCN1C2=NC=C(C=C2)C(=O)NC3=C(C=C(C(=C3)C)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)Cl

DOS

IR

Vibrations