Geometry & MOs

Info

ID:	422584
PubChem CID:	135118083
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	376.176007
ΔH_f, kcal/mol:	-53.75
Dipole, Da:	2.92
IP(EA), eV:	-8.65(0.38)
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)-[4-(tetrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=CC(=CC=C3)OCCN4CCCCC4

DOS

IR

Vibrations