Geometry & MOs

Info

ID:	422980
PubChem CID:	135118721
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-60.9
Dipole, Da:	3.59
IP(EA), eV:	-9.35(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethyl-5-(2-methylpropyl)pyrazol-3-yl]-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NC2=CC=NN12)C(=O)N3[C@@H]4CC[C@H]3[C@@](C4)(CC=C(C)C)C(=O)NCCOC

DOS

IR

Vibrations