Geometry & MOs

Info

ID:	422969
PubChem CID:	135118704
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	373.160183
ΔH_f, kcal/mol:	-152.92
Dipole, Da:	5.53
IP(EA), eV:	-9.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(difluoromethoxy)phenyl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCNCC2)OC[C@@H]1O)NC(=O)CN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations