Geometry & MOs

Info

ID:	82518
PubChem CID:	49856129
Reduced:	O2N5C23H37 (1)
Stoich.:	A2B5C23D37 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-68.65
Dipole, Da:	5.9
IP(EA), eV:	-8.31(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(2R)-2-[(1S,3S,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]propoxy]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC[C@H](C)[C@H]1CC[C@H]([C@H](C1)N(C)C2=NC=NC3=C2C=CN3)C

DOS

IR

Vibrations