Geometry & MOs

Info

ID:	416288
PubChem CID:	135089301
Reduced:	ClON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-40.21
Dipole, Da:	2.48
IP(EA), eV:	-8.51(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)Cl

DOS

IR

Vibrations