Geometry & MOs

Info

ID:	331324
PubChem CID:	127248731
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	13.52
Dipole, Da:	6.6
IP(EA), eV:	-8.55(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-5-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCCC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations