Geometry & MOs

Info

ID:	419984
PubChem CID:	135110551
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	304.201159
ΔH_f, kcal/mol:	-54.78
Dipole, Da:	5.86
IP(EA), eV:	-8.99(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopropyl-6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CN(CCC1N2C[C@@H]3COC[C@H](C2)NC3=O)CC4=CC=CC=C4

DOS

IR

Vibrations