Geometry & MOs

Info

ID:	345365
PubChem CID:	127269665
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-9.28
Dipole, Da:	2.16
IP(EA), eV:	-8.2(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCCN(CC3)C4=CC=CC=C4C#N)OC1

DOS

IR

Vibrations