Geometry & MOs

Info

ID:	324162
PubChem CID:	126677051
Reduced:	N3O5C13H23 (1)
Stoich.:	A3B5C13D23 (1)
Weight, g/mol:	373.146265
ΔH_f, kcal/mol:	-230.71
Dipole, Da:	3.6
IP(EA), eV:	-9.84(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C[C@H](C(=O)NNC(=O)C1CC(C1)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations