Geometry & MOs

Info

ID:	371366
PubChem CID:	127345978
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-129.01
Dipole, Da:	2.23
IP(EA), eV:	-8.9(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC(=CC=C2)NC(=O)CC3CCOC3

DOS

IR

Vibrations