Geometry & MOs

Info

ID:	347622
PubChem CID:	127272488
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-38.19
Dipole, Da:	5.75
IP(EA), eV:	-8.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(CC2NC(=O)C3=NN=C(C=C3)N4CCCC4)(C)C

DOS

IR

Vibrations