Geometry & MOs

Info

ID:	139602
PubChem CID:	52568437
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-50.59
Dipole, Da:	11.29
IP(EA), eV:	-9.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CCCO1)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations