Geometry & MOs

Info

ID:	126380
PubChem CID:	50962515
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	357.135638
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	5.34
IP(EA), eV:	-8.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(6-chloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN(CC=C)C(=O)CN2C=CC(=O)NC2=O

DOS

IR

Vibrations