Geometry & MOs

Info

ID:	332420
PubChem CID:	127250706
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	71.22
Dipole, Da:	5.52
IP(EA), eV:	-8.46(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[[2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2CN3CCOC(C3)C4=CC=CC(=N4)C5=CN(N=C5)C)C

DOS

IR

Vibrations