Geometry & MOs

Info

ID:	417743
PubChem CID:	135102633
Reduced:	ClN6C13H19 (1)
Stoich.:	AB6C13D19 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	60.27
Dipole, Da:	5.84
IP(EA), eV:	-8.98(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCN(C)C1=NC=NC(=C1)NCCCN2C=C(C=N2)Cl

DOS

IR

Vibrations