Geometry & MOs

Info

ID:	423596
PubChem CID:	135119796
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	326.221895
ΔH_f, kcal/mol:	-119.01
Dipole, Da:	3.67
IP(EA), eV:	-9.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations