Geometry & MOs

Info

ID:	416968
PubChem CID:	135090931
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	373.226646
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	2.59
IP(EA), eV:	-8.41(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(3-imidazol-1-ylpropyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3)C

DOS

IR

Vibrations