Geometry & MOs

Info

ID:	422008
PubChem CID:	135117003
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-113.93
Dipole, Da:	5.26
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=C(C=C3)N4CC(=O)NC4=O

DOS

IR

Vibrations