Geometry & MOs

Info

ID:	332276
PubChem CID:	127250562
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-47.73
Dipole, Da:	9.24
IP(EA), eV:	-9.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1CCCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4)C

DOS

IR

Vibrations