Geometry & MOs

Info

ID:	332331
PubChem CID:	127250617
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	4.33
IP(EA), eV:	-8.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]morpholin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CN2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)C(=O)N)C)C)OC

DOS

IR

Vibrations