Geometry & MOs

Info

ID:	423771
PubChem CID:	135120178
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	362.166666
ΔH_f, kcal/mol:	-38.94
Dipole, Da:	2.64
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-[5-(difluoromethyl)-2-methylpyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CC3=NC(=NO3)C4=CC=CO4)O

DOS

IR

Vibrations